CID 53638837

1082268-38-9

Structural Information

Molecular Formula

C₁₁H₁₅NO₂

SMILES

COC1=CC2=C(CCC2(CN)O)C=C1

InChI

InChI=1S/C11H15NO2/c1-14-9-3-2-8-4-5-11(13,7-12)10(8)6-9/h2-3,6,13H,4-5,7,12H2,1H3

InChIKey

AEQHOEVVPMKKDS-UHFFFAOYSA-N

Compound name

1-(aminomethyl)-6-methoxy-2,3-dihydroinden-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 193.11028 Da
Monoisotopic Mass: 0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	194.11756	141.0
[M+Na]+	216.09950	149.4
[M-H]-	192.10300	144.2
[M+NH4]+	211.14410	164.5
[M+K]+	232.07344	146.4
[M+H-H2O]+	176.10754	136.4
[M+HCOO]-	238.10848	163.5
[M+CH3COO]-	252.12413	182.6
[M+Na-2H]-	214.08495	146.7
[M]+	193.10973	140.2
[M]-	193.11083	140.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe